SCHEMBL6162229

SCHEMBL6162229

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.44
DGAT2 Q96PD7 2/20 0.42
F10 P00742 1/20 0.42
USP30 Q70CQ3 1/20 0.42
DEGS1 O15121 1/20 0.41
FPR2 P25090 2/20 0.41
FPR1 P21462 1/20 0.41
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
GPR88 Q9GZN0 1/20 0.39
NAMPT P43490 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6163283 1.00 SCN3A (0.44) SCN3ADGAT2F10USP30DEGS1
SCHEMBL6167709 0.91 SCN3A (0.40) SCN3ADGAT2F10USP30DEGS1
SCHEMBL6162195 0.91 SCN3A (0.40) SCN3ADGAT2F10USP30DEGS1
SCHEMBL6166089 0.89 F10 (0.45) SCN3ADGAT2F10DEGS1GPR88
SCHEMBL6982721 0.88 F10 (0.46) F10USP30FPR2FPR1ALOX5AP
SCHEMBL6166874 0.87 F10 (0.52) F10
SCHEMBL6165552 0.87 F10 (0.52) F10
SCHEMBL6167083 0.82 DEGS1 (0.48) SCN3ADGAT2DEGS1GPR88NAMPT
SCHEMBL6980029 0.78 F10 (0.57) F10
SCHEMBL7448740 0.78 F10 (0.41) F10USP30FPR2FPR1ALOX5AP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI SCN3A 539/4885DGAT2 4012/4885F10 11/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.